Materials Data on K2PrI5 by Materials Project

Abstract

K2PrI5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.65–4.00 Å. Pr3+ is bonded to seven I1- atoms to form distorted edge-sharing PrI7 pentagonal bipyramids. There are a spread of Pr–I bond distances ranging from 3.20–3.30 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded to four equivalent K1+ and one Pr3+ atom to form a mixture of distorted face, edge, and corner-sharing IK4Pr trigonal bipyramids. In the second I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Pr3+ atoms. In the third I1- site, I1- is bonded to four equivalent K1+ and one Pr3+ atom to form a mixture of distorted face, edge, and corner-sharing IK4Pr trigonal bipyramids. In the fourth I1- site, I1- is bonded to four equivalent K1+ and one Pr3+ atom to form a mixture of distorted edge and corner-sharing IK4Pr trigonal bipyramids.